SCHEMBL3432576

SCHEMBL3432576

COc1ccc(NC(=O)c2nn(CCOc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.54
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
CYP2D6 P10635 1/20 0.52
RAB9A P51151 1/20 0.52
KCNA5 P22460 1/20 0.52
PTGER4 P35408 2/20 0.52
ROCK1 Q13464 3/20 0.50
ADORA3 P0DMS8 1/20 0.49
HIF1A Q16665 1/20 0.48
CDK2 P24941 1/20 0.48
FLT3 P36888 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3431330 0.95 ELANE (0.53) ELANEMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL3431965 0.88 NPC1 (0.50) ELANEMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3755136 0.83 RAB9A (0.54) MAPTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL3430571 0.82 ELANE (0.47) ELANEMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL13051117 0.81 TRPV1 (0.44) ROCK1PKM
SCHEMBL3428314 0.81 TSHR (0.55) ELANEMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3428359 0.80 PTGER4 (0.66) ELANEMAPTMEN1KMT2APTGER4
SCHEMBL3751996 0.79 RAB9A (0.53) MAPTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL3431593 0.78 NPC1 (0.49) ELANEMAPTALDH1A1CYP2C19SMN1; SMN2
SCHEMBL3427977 0.78 KCNA5 (0.54) ALDH1A1CYP1A2SMN1; SMN2NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US claimed
EP-2257340-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BioMarin IGA Limited (BS) 2010-12-08 EP disclosed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
WO-2009121623-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-10-08 WO disclosed
WO-2009121623-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-10-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY CPT1B, SMN1; SMN2, GYS1 ELANE 1217/4885MAPT 3715/4885ALDH1A1 359/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.